BDBM50427768 CHEMBL2325441

SMILES: O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1

InChI Key: InChIKey=GGXCUZHEJUJACD-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50427768   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein arginine N-methyltransferase 3 (Homo sapiens (Human))	BDBM50427768 (CHEMBL2325441) Show SMILES O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5| Show InChI InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to 6xHis-tagged recombinant human PRMT3 by surface plasmon resonance analysis				J Med Chem 58: 1596-629 (2015) Article DOI: 10.1021/jm501234a BindingDB Entry DOI: 10.7270/Q28K7BS2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 3 (Homo sapiens)	BDBM50427768 (CHEMBL2325441) Show SMILES O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5| Show InChI InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of full length PRMT3 (unknown origin) using biotinylated histone H4 as substrate after 60 mins in presence of [3H]S-adenosylmethionine by ...				J Med Chem 61: 1204-1217 (2018) Article DOI: 10.1021/acs.jmedchem.7b01674 BindingDB Entry DOI: 10.7270/Q24J0HK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 3 (Homo sapiens (Human))	BDBM50427768 (CHEMBL2325441) Show SMILES O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5| Show InChI InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of PRMT3 (unknown origin) using histone H4 (1 to 24) as substrate after 1 hr by scintillation proximity assay in presence of [3H]-S-adenos...				J Med Chem 56: 2110-24 (2013) Article DOI: 10.1021/jm3018332 BindingDB Entry DOI: 10.7270/Q2W95BHJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 3 (Homo sapiens (Human))	BDBM50427768 (CHEMBL2325441) Show SMILES O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5| Show InChI InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of recombinant human PRMT3 (211 to 531) using histone-4 (1 to 24) as substrate by S-adenosylhomocysteine hydrolase-coupled assay				J Med Chem 58: 1596-629 (2015) Article DOI: 10.1021/jm501234a BindingDB Entry DOI: 10.7270/Q28K7BS2
					More data for this Ligand-Target Pair				3D Structure (crystal)